3-[5-(4-cyclohexylpiperazin-4-ium-1-yl)-5-oxidanylidene-pentyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[5-(4-cyclohexylpiperazin-4-ium-1-yl)-5-oxidanylidene-pentyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[5-(4-cyclohexylpiperazin-4-ium-1-yl)-5-oxo-pentyl]-1H-quinazoline-2,4-dione CAS Name: 3-[5-(4-cyclohexyl-1-piperazin-4-iumyl)-5-oxopentyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[5-(4-cyclohexylpiperazin-4-ium-1-yl)-5-oxopentyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[5-(4-cyclohexylpiperazin-4-ium-1-yl)-5-keto-pentyl]-1H-quinazoline-2,4-quinone Formula: C23H33N4O3+ MolecularWeight: 413.53312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCCCN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CCC(CC1)[NH+]2CCN(CC2)C(=O)CCCCN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C23H32N4O3/c28-21(26-16-14-25(15-17-26)18-8-2-1-3-9-18)12-6-7-13-27-22(29)19-10-4-5-11-20(19)24-23(27)30/h4-5,10-11,18H,1-3,6-9,12-17H2,(H,24,30)/p+1